(4S,5S,6R,7S,8R)-5-Acetamido-6,7,8,9-Tetrahydroxy-4-Methoxy-2-Oxononanoic Acid

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Formula C12H21NO9
IUPAC Name (4s,5s,6r,7s,8r)-5-acetamido-6,7,8,9-tetrahydroxy-4-methoxy-2-oxo-nonanoic acid
Molecular Mass 323.296 g·mol−1
Heat of Formation -1695.5 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 370.58 Å 3
Surface Area 324.26 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5s,6r,7s,8r)-5-acetamido-6,7,8,9-tetrahydroxy-2-keto-4-methoxy-pelargonic acid
  • (4s,5s,6r,7s,8r)-5-acetamido-6,7,8,9-tetrahydroxy-4-methoxy-2-oxo-nonanoic acid
  • 4-o-methyl-n-acetylneuraminic acid
  • d-glycero-d-galacto-2-octulosonic acid, 5-(acetylamino)-3,5-dideoxy-4-o-methyl-
CAS Number(s)
  • 67974-39-4
InChIKey UWTCTIMOBMXPCE-RCZSTQMZSA-N
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